(E)-N,N-diethyl-2,3-dimethylhept-2-enamide

C13H25NO — CID 137429133

IUPAC(E)-N,N-diethyl-2,3-dimethylhept-2-enamide
SMILESCCCC/C(C)=C(\C)C(=O)N(CC)CC
InChIInChI=1S/C13H25NO/c1-6-9-10-11(4)12(5)13(15)14(7-2)8-3/h6-10H2,1-5H3/b12-11+
InChIKeyLLELWYYSFJFLTL-VAWYXSNFSA-N
MW211.35 g/mol
LogP3.38
Rot. Bonds6

About (E)-N,N-diethyl-2,3-dimethylhept-2-enamide

(E)-N,N-diethyl-2,3-dimethylhept-2-enamide (PubChem CID 137429133) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (E)-N,N-diethyl-2,3-dimethylhept-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-2,3-dimethylhept-2-enamide
PubChem CID137429133
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(E)-N,N-diethyl-2,3-dimethylhept-2-enamide
SMILESCCCC/C(C)=C(\C)C(=O)N(CC)CC
InChIInChI=1S/C13H25NO/c1-6-9-10-11(4)12(5)13(15)14(7-2)8-3/h6-10H2,1-5H3/b12-11+
InChIKeyLLELWYYSFJFLTL-VAWYXSNFSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-2,3-dimethylhept-2-enamide?
The IUPAC name of (E)-N,N-diethyl-2,3-dimethylhept-2-enamide (CID 137429133) is (E)-N,N-diethyl-2,3-dimethylhept-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-2,3-dimethylhept-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-2,3-dimethylhept-2-enamide is CCCC/C(C)=C(\C)C(=O)N(CC)CC.
What is the InChIKey of (E)-N,N-diethyl-2,3-dimethylhept-2-enamide?
The InChIKey is LLELWYYSFJFLTL-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-9-10-11(4)12(5)13(15)14(7-2)8-3/h6-10H2,1-5H3/b12-11+.
What are the key properties of (E)-N,N-diethyl-2,3-dimethylhept-2-enamide?
(E)-N,N-diethyl-2,3-dimethylhept-2-enamide has a molecular weight of 211.35 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-2,3-dimethylhept-2-enamide is sourced from PubChem (CID 137429133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).